These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

123 related articles for article (PubMed ID: 11480986)

  • 1. Semiclassical simulations of azomethane photochemistry in the gas phase and in solution.
    Cattaneo P; Persico M
    J Am Chem Soc; 2001 Aug; 123(31):7638-45. PubMed ID: 11480986
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Photodynamics of azomethane: a nonadiabatic surface-hopping study.
    Sellner B; Ruckenbauer M; Stambolić I; Barbatti M; Aquino AJ; Lischka H
    J Phys Chem A; 2010 Aug; 114(33):8778-85. PubMed ID: 20450202
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Azomethane: nonadiabatic photodynamical simulations in solution.
    Ruckenbauer M; Barbatti M; Sellner B; Muller T; Lischka H
    J Phys Chem A; 2010 Dec; 114(48):12585-90. PubMed ID: 21070061
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Simulation of the photodynamics of azobenzene on its first excited state: comparison of full multiple spawning and surface hopping treatments.
    Toniolo A; Ciminelli C; Persico M; Martínez TJ
    J Chem Phys; 2005 Dec; 123(23):234308. PubMed ID: 16392921
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Effect of Initial Conditions Sampling on Surface Hopping Simulations in the Ultrashort and Picosecond Time Range. Azomethane Photodissociation as a Case Study.
    Pieroni C; Becuzzi F; Creatini L; Granucci G; Persico M
    J Chem Theory Comput; 2023 May; 19(9):2430-2445. PubMed ID: 37071389
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Three-state trajectory surface hopping studies of the photodissociation dynamics of formaldehyde on ab initio potential energy surfaces.
    Fu B; Shepler BC; Bowman JM
    J Am Chem Soc; 2011 May; 133(20):7957-68. PubMed ID: 21526775
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Adiabatic and nonadiabatic dissociation of ethyl radical.
    Hostettler JM; Bach A; Chen P
    J Chem Phys; 2009 Jan; 130(3):034303. PubMed ID: 19173517
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model.
    Sisto A; Stross C; van der Kamp MW; O'Connor M; McIntosh-Smith S; Johnson GT; Hohenstein EG; Manby FR; Glowacki DR; Martinez TJ
    Phys Chem Chem Phys; 2017 Jun; 19(23):14924-14936. PubMed ID: 28430270
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Simulation of the photodeactivation of formamide in the nO-pi* and pi-pi* states: an ab initio on-the-fly surface-hopping dynamics study.
    Antol I; Eckert-Maksić M; Barbatti M; Lischka H
    J Chem Phys; 2007 Dec; 127(23):234303. PubMed ID: 18154378
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Intramolecular hydrogen bonding plays a crucial role in the photophysics and photochemistry of the GFP chromophore.
    Cui G; Lan Z; Thiel W
    J Am Chem Soc; 2012 Jan; 134(3):1662-72. PubMed ID: 22175658
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Photophysics of the pi,pi* and n,pi* states of thymine: MS-CASPT2 minimum-energy paths and CASSCF on-the-fly dynamics.
    Asturiol D; Lasorne B; Robb MA; Blancafort L
    J Phys Chem A; 2009 Sep; 113(38):10211-8. PubMed ID: 19722485
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ab initio quantum dynamical analysis of ultrafast nonradiative transitions via conical intersections in pyrazine.
    Kanno M; Ito Y; Shimakura N; Koseki S; Kono H; Fujimura Y
    Phys Chem Chem Phys; 2015 Jan; 17(3):2012-24. PubMed ID: 25476139
    [TBL] [Abstract][Full Text] [Related]  

  • 13. SHARC: ab Initio Molecular Dynamics with Surface Hopping in the Adiabatic Representation Including Arbitrary Couplings.
    Richter M; Marquetand P; González-Vázquez J; Sola I; González L
    J Chem Theory Comput; 2011 May; 7(5):1253-8. PubMed ID: 26610121
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans-azomethane.
    Gaenko A; DeFusco A; Varganov SA; Martínez TJ; Gordon MS
    J Phys Chem A; 2014 Nov; 118(46):10902-8. PubMed ID: 25329724
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Reduced-dimensional surface hopping with offline-online computations.
    Morrow Z; Kwon HY; Kelley CT; Jakubikova E
    Phys Chem Chem Phys; 2021 Sep; 23(35):19547-19557. PubMed ID: 34524324
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Which Electronic Structure Method to Choose in Trajectory Surface Hopping Dynamics Simulations? Azomethane as a Case Study.
    Papineau TV; Jacquemin D; Vacher M
    J Phys Chem Lett; 2024 Jan; 15(2):636-643. PubMed ID: 38205955
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Dynamical insights into (1)pi sigma(*) state mediated photodissociation of aniline.
    King GA; Oliver TA; Ashfold MN
    J Chem Phys; 2010 Jun; 132(21):214307. PubMed ID: 20528022
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Radiationless decay mechanism of cytosine: an ab initio study with comparisons to the fluorescent analogue 5-methyl-2-pyrimidinone.
    Kistler KA; Matsika S
    J Phys Chem A; 2007 Apr; 111(14):2650-61. PubMed ID: 17388372
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ab Initio Molecular Cavity Quantum Electrodynamics Simulations Using Machine Learning Models.
    Hu D; Huo P
    J Chem Theory Comput; 2023 Apr; 19(8):2353-2368. PubMed ID: 37000936
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Overtone-induced dissociation and isomerization dynamics of the hydroxymethyl radical (CH2OH and CD2OH). I. A theoretical study.
    Kamarchik E; Rodrigo C; Bowman JM; Reisler H; Krylov AI
    J Chem Phys; 2012 Feb; 136(8):084304. PubMed ID: 22380039
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.